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Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations

โœ Scribed by Speidel, Joshua A.; Banfelder, Jason R.; Mezei, Mihaly

Book ID
126027962
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
115 KB
Volume
2
Category
Article
ISSN
1549-9618

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โœ Martin Schoen ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 749 KB

In this article the Taylor-expansion method is introduced by which Monte Carlo ( \(\mathrm{MC}\) ) simulations in the canonical ensemble can be speeded up significantly. Substantial gains in computational speed of \(20-40 \%\) over conventional implementations of the \(M C\) technique are obtained o